N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide

C17H29NO3 — CID 71873170

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide
SMILESCCOC1CC(NC(=O)C2CCOCC2)C12CCCCC2
InChIInChI=1S/C17H29NO3/c1-2-21-15-12-14(17(15)8-4-3-5-9-17)18-16(19)13-6-10-20-11-7-13/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyWCHGRSQIMAVJRJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.66
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide (PubChem CID 71873170) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide
PubChem CID71873170
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide
SMILESCCOC1CC(NC(=O)C2CCOCC2)C12CCCCC2
InChIInChI=1S/C17H29NO3/c1-2-21-15-12-14(17(15)8-4-3-5-9-17)18-16(19)13-6-10-20-11-7-13/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyWCHGRSQIMAVJRJ-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide (CID 71873170) is N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide is CCOC1CC(NC(=O)C2CCOCC2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide?
The InChIKey is WCHGRSQIMAVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-21-15-12-14(17(15)8-4-3-5-9-17)18-16(19)13-6-10-20-11-7-13/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide has a molecular weight of 295.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide is sourced from PubChem (CID 71873170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).